BioLiP

PDB

BioLiP

PDB CCD ID:

YIK

Number of entries in BioLiP:

Chemical formula:

C18 H14 N6 O2

InChI:

InChI=1S/C18H14N6O2/c25-18(10-4-5-10)19-13-3-1-2-11(8-13)16-14-9-12(17-20-23-24-21-17)6-7-15(14)22-26-16/h1-3,6-10H,4-5H2,(H,19,25)(H,20,21,23,24)

InChIKey:

ZDYGRDMSDBGSHI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)NC(=O)C2CC2)c3c4cc(ccc4no3)c5n[nH]nn5
ACDLabs 12.01	O=C(Nc1cccc(c1)c1onc2ccc(cc12)c1n[NH]nn1)C1CC1
CACTVS 3.385	O=C(Nc1cccc(c1)c2onc3ccc(cc23)c4n[nH]nn4)C5CC5

Name:

N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).